3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C24H22ClN3O3S2 MolecularWeight: 500.03278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN3O3S2/c1-30-19-10-11-20(31-2)23-22(19)27-24(33-23)28(15-17-5-3-4-13-26-17)21(29)12-14-32-18-8-6-16(25)7-9-18/h3-11,13H,12,14-15H2,1-2H3